Ersilia model hub for open source drug discovery and global health
Project description
Welcome to Ersilia!
This is work in progress.
- Models can be checked at Ersilia model hub (coming soon)
- High-level documentation is available at Ersilia docs
- Low-level documentation is available at Ersilia Read The Docs (work in progress)
Install
Mac and Linux
We recommend working inside a conda environment.
conda create -n ersilia python=3.7
conda activate ersilia
Then, simply install with pip.
pip install ersilia
You are done!
ersilia --help
Windows Installation
Coming soon...
Quick start
First, download your model of interest. It will be stored locally at ~/eos
.
ersilia fetch eos0abc
You can check the catalog of models available in your computer.
ersilia catalog --local
For more information, check the model card.
ersilia card eos0abc
Serve your model. A URL will be displayed, together with the APIs available for the model.
ersilia serve eos0abc
To run the model, use your API of choice. For example, predict
for Caffeine.
ersilia api eos0abc predict "CN1C=NC2=C1C(=O)N(C(=O)N2C)C"
Don't forget to close the model when you are finished.
ersilia close eos0abc
If you don't want to use this model anymore, remove it from your computer.
ersilia delete eos0abc
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